⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1653 | 0.78 | ALDH1A1 (0.55) | — | |
| SCHEMBL19611522 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL17178869 | 0.75 | ALDH1A1 (0.52) | — | |
| Hydrogen Sulfide SCHEMBL5079696 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL15506263 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL3092125 | 0.71 | — | — | |
| SCHEMBL622351 | 0.71 | — | — | |
| SCHEMBL2270 | 0.71 | — | — | |
| SCHEMBL774900 | 0.71 | — | — | |
| SCHEMBL1506483 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107445935-B | Hesperetin analog derivative and its preparation that a kind of amide groups replaces and as the application in anti-inflammatory drug | 安徽医科大学 | 2019-09-27 | — | — | CN | claimed |
| CN-107445935-A | A kind of hesperetin analog derivative of amide groups substitution and its preparation and as the application in the medicine of anti-inflammatory | 安徽医科大学 | 2017-12-08 | — | — | CN | claimed |
| CN-106905280-A | Hesperetin analog derivative of a kind of amide groups substitution and preparation method thereof and as the application in the medicine of anti-alzheimer's disease | 安徽医科大学 | 2017-06-30 | — | — | CN | claimed |
| EP-1292579-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | Pharmacia Corporation (US) | 2003-03-19 | — | — | EP | claimed |
| WO-2001087851-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | claimed |
| WO-2001087854-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | claimed |
| WO-2001041763-A1 | TREATMENT OF ADDICTION DISORDERS | UNIVERSITY OF CINCINNATI (US) | 2001-06-14 | — | — | WO | claimed |
| US-4268510-A | DEMETHANIZATION, METABOLISM, RUMEN | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-05-19 | — | — | US | claimed |
| CN-107445935-B | Hesperetin analog derivative and its preparation that a kind of amide groups replaces and as the application in anti-inflammatory drug | 安徽医科大学 | 2019-09-27 | — | — | CN | disclosed |
| CN-106905280-B | Hesperetin analog derivative that a kind of amide groups replaces and preparation method thereof and as the application in the drug of anti-alzheimer's disease | 安徽医科大学 | 2019-04-09 | — | — | CN | disclosed |
| CN-107445935-A | A kind of hesperetin analog derivative of amide groups substitution and its preparation and as the application in the medicine of anti-inflammatory | 安徽医科大学 | 2017-12-08 | — | — | CN | disclosed |
| CN-106905280-A | Hesperetin analog derivative of a kind of amide groups substitution and preparation method thereof and as the application in the medicine of anti-alzheimer's disease | 安徽医科大学 | 2017-06-30 | — | — | CN | disclosed |
| US-20080089859-A1 | ADMINISTRATION OF SLEEP RESTORATIVE AGENTS | HOLMAN ANDREW | 2008-04-17 | — | — | US | disclosed |
| EP-1091946-B1 | NEW 2-AMINOTHIAZOL-FUSED 2-AMINOINDANS AND 2-AMINOTETRALINS AND THEIR USE | WIKSTROEM HAKAN VILHELM (NL) | 2004-03-17 | — | — | EP | disclosed |
| US-4518596-A | Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines | DR. KARL THOMAE GMBH (DE) | 1985-05-21 | — | — | US | disclosed |
| EP-0055444-B1 | TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1985-03-20 | — | — | EP | disclosed |
| US-4478833-A | ANTICOAGULANTS | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-10-23 | — | — | US | disclosed |
| EP-0023559-B1 | 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1984-09-19 | — | — | EP | disclosed |
| EP-0055444-A2 | Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1982-07-07 | — | — | EP | disclosed |
| EP-0023559-A1 | 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1981-02-11 | — | — | EP | disclosed |